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Register a new userOrbital ordering in undoped manganites via a generalized Peierls instability
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Added by
Sudhakar Yarlagadda
Publication date
2009
fields
Physics
and research's language is
English
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We study the ground state orbital ordering of $LaMnO_3$, at weak electron-phonon coupling, when the spin state is A-type antiferromagnet. We determine the orbital ordering by extending to our Jahn-Teller system a recently developed Peierls instability framework for the Holstein model [1]. By using two-dimensional dynamic response functions corresponding to a mixed Jahn-Teller mode, we establish that the $Q_2$ mode determines the orbital order.
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Structural features of the charge/orbital ordering (CO/OO) in single-layered manganites Pr1-xCa1+xMnO4 have been investigated systematically by transmission electron microscopy. Analyses of electron diffraction patterns as well as dark-field images have revealed that the CO/OO shows a striking asymmetric behavior as the hole doping x deviates from x = 0.5. The modulation wavenumber linearly decreases with increasing x in the over-hole-doped (x > 0.5) crystals, while much less dependent on x in the under-hole-doped (x < 0.5) crystals. A temperature-induced incommensurate-commensurate crossover is observed in 0.35 < x < 0.5 and x = 0.65. The correlation length of CO/OO in x = 0.3 was proven to become shorter than that in x > 0.3.
We argue that in lightly hole doped perovskite-type Mn oxides the holes (Mn$^{4+}$ sites) are surrounded by nearest neighbor Mn$^{3+}$ sites in which the occupied $3d$ orbitals have their lobes directed towards the central hole (Mn$^{4+}$) site and with spins coupled ferromagnetically to the central spin. This composite object, which can be viewed as a combined orbital-spin-lattice polaron, is accompanied by the breathing type (Mn$^{4+}$) and Jahn-Teller type (Mn$^{3+}$) local lattice distortions. We present calculations which indicate that for certain doping levels these orbital polarons may crystallize into a charge and orbitally ordered ferromagnetic insulating state.
Orbital-ordering instability arising due to the intrapocket nesting is investigated for the tight-binding models of pnictides in the presence of orbital-lattice coupling. The incommensurate instabilities with small momentum, which may play an important role in the nematic-ordering transition, vary from model to model besides being more favorable in comparison to the spin-density wave instability in the absence of good interpocket nesting. We also examine the doping dependence of such instabilities. The electron-phonon coupling parameter required to induce them are compared with the first-principle calculations.
The charge order of CE phase in half-doped manganites is studied, based on an argument that the charge-ordering is caused by the Jahn-Teller distortions of MnO6 octahedra rather than Coulomb repulsion between electrons. The uantitative calculation on the ferromagnetic zigzag chain as the basic structure unit of CE phase within the framework of two-orbital double exchange model including Jahn-Teller effect is performed, and it is shown that the charge-disproportionation of Mn cations in the charge-ordered CE phase is less than 13%. In addition, we predict the negative charge-disproportionation once the Jahn-Teller effect is weak enough.
We consider the superexchange in `frustrated Jahn-Teller systems, such as the transition metal oxides NaNiO_2, LiNiO_2, and ZnMn_2O_4, in which transition metal ions with doubly degenerate orbitals form a triangular or pyrochlore lattice and are connected by the 90-degree metal-oxygen-metal bonds. We show that this interaction is much different from a more familiar exchange in systems with the 180-degree bonds, e.g. perovskites. In contrast to the strong interplay between the orbital and spin degrees of freedom in perovskites, in the 90-degree exchange systems spins and orbitals are decoupled: the spin exchange is much weaker than the orbital one and it is ferromagnetic for all orbital states. Due to frustration, the mean-field orbital ground state is strongly degenerate. Quantum orbital fluctuations select particular ferro-orbital states, such as the one observed in NaNiO_2. We also discuss why LiNiO_2 may still behave as an orbital liquid.
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